CID 1394261

3'-fluoro-[1,1'-biphenyl]-4-carbaldehyde

Structural Information

Molecular Formula
C13H9FO
SMILES
C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H9FO/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-9H
InChIKey
GUECWHQTSREAMT-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

200.06374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.071016 139.3
[M+Na]+ 223.052958 148.7
[M-H]- 199.056464 145.3
[M+NH4]+ 218.097563 158.6
[M+K]+ 239.026898 144.5
[M+H-H2O]+ 183.061000 131.7
[M+HCOO]- 245.061941 163.5
[M+CH3COO]- 259.077591 185.2
[M+Na-2H]- 221.038406 146.0
[M]+ 200.06319142 138.5
[M]- 200.06428858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe